Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CBLB | Q13191 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25857901 | 0.86 | TLR7 (0.43) | CBLBTLR7KDM4EGSK3BDYRK1A | |
| SCHEMBL25852549 | 0.86 | MAPT (0.40) | CBLBKDM4EBACE1HIF1ACYP1A2 | |
| SCHEMBL25852674 | 0.84 | MAPT (0.39) | CBLBKDM4EBACE1HIF1ACYP1A2 | |
| SCHEMBL19636636 | 0.83 | DHFR (0.40) | KDM4EDYRK1AHIF1A | |
| SCHEMBL19636924 | 0.83 | DHFR (0.40) | KDM4EDYRK1AHIF1A | |
| SCHEMBL19636632 | 0.82 | DHFR (0.40) | KDM4EDYRK1AHIF1ACYP1A2CYP2C19 | |
| SCHEMBL14543374 | 0.81 | CBLB (0.40) | CBLBTLR7KDM4EGSK3BDYRK1A | |
| SCHEMBL14072184 | 0.74 | MAPT (0.43) | KDM4ECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL19350927 | 0.74 | TOP1 (0.43) | KDM4EBACE1HIF1A | |
| SCHEMBL12934350 | 0.73 | HDAC1 (0.41) | KDM4EBACE1HIF1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3458069-B1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MERSANA THERAPEUTICS INC (US) | 2023-07-05 | — | — | EP | disclosed |